UCSF

ZINC34338921

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 9.51 -47.37 2 5 1 51 299.398 5
Hi High (pH 8-9.5) 1.26 7.32 -11.15 1 5 0 50 298.39 5
Mid Mid (pH 6-8) 1.26 10.02 -86.16 3 5 2 53 300.406 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )